SCHEMBL4785937

SCHEMBL4785937

CCCCCC1NC(=O)CN1CCCCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCD Q05655 8/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX5 P09917 2/20 0.37
HLCS P50747 2/20 0.36
ABL1 P00519 1/20 0.35
GAA P10253 1/20 0.35
RIN1 Q13671 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MGLL Q99685 3/20 0.33
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
FAAH O00519 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20429180 0.77 ALDH1A1 (0.38) ALDH1A1L3MBTL1ALOX5HLCSABL1
SCHEMBL8998171 0.71 GBA1 (0.40) PRKCDALDH1A1L3MBTL1ALOX5HLCS
SCHEMBL19751784 0.68 PRKCD (0.41) PRKCDALDH1A1L3MBTL1ALOX5MGLL
SCHEMBL7546526 0.67 GAA (0.38) PRKCDALDH1A1L3MBTL1HLCSABL1
SCHEMBL1140659 0.67 GNAO1 (0.38) GAA
SCHEMBL169504 0.67 ABL1 (0.41) ALDH1A1L3MBTL1HLCSABL1GAA
SCHEMBL20954139 0.66 GNAO1 (0.41) GAA
SCHEMBL19683169 0.66 ALDH1A1 (0.37) PRKCDALDH1A1L3MBTL1HLCSABL1
SCHEMBL20954130 0.66 GNAO1 (0.41) GAA
SCHEMBL4461377 0.65 ALDH1A1 (0.69) PRKCDALDH1A1L3MBTL1HLCSMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008112674-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-09-18 WO disclosed